methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloranyl-6-methyl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloranyl-6-methyl-phenyl)carbonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-[(2-chloro-6-methylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methylbenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(2-chloro-6-methyl-benzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C29H27ClN2O6S MolecularWeight: 567.05248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=C(C=CC=C4Cl)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3N(CC2C(=O)OC)C(=O)C4=C(C=CC=C4Cl)C

InChI

InChI=1S/C29H27ClN2O6S/c1-4-5-17-38-22-13-15-23(16-14-22)39(35,36)32-18-21-10-6-7-12-25(21)31(19-26(32)29(34)37-3)28(33)27-20(2)9-8-11-24(27)30/h6-16,26H,17-19H2,1-3H3